5-N-(1,3-benzothiazol-2-yl)-4-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide

C18H12ClN5O2S — CID 24983646

IUPAC5-N-(1,3-benzothiazol-2-yl)-4-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide
SMILESO=C(Nc1ccccc1Cl)c1nc[nH]c1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C18H12ClN5O2S/c19-10-5-1-2-6-11(10)22-16(25)14-15(21-9-20-14)17(26)24-18-23-12-7-3-4-8-13(12)27-18/h1-9H,(H,20,21)(H,22,25)(H,23,24,26)
InChIKeyYYDKWYFOPFQYQD-UHFFFAOYSA-N
MW397.85 g/mol
LogP4.18
Rot. Bonds4

About 5-N-(1,3-benzothiazol-2-yl)-4-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide

5-N-(1,3-benzothiazol-2-yl)-4-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 24983646) has the molecular formula C18H12ClN5O2S and a molecular weight of 397.85 g/mol. Its IUPAC name is 5-N-(1,3-benzothiazol-2-yl)-4-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1,3-benzothiazol-2-yl)-4-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID24983646
Molecular FormulaC18H12ClN5O2S
Molecular Weight397.85 g/mol
Exact Mass397.04
IUPAC Name5-N-(1,3-benzothiazol-2-yl)-4-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide
SMILESO=C(Nc1ccccc1Cl)c1nc[nH]c1C(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C18H12ClN5O2S/c19-10-5-1-2-6-11(10)22-16(25)14-15(21-9-20-14)17(26)24-18-23-12-7-3-4-8-13(12)27-18/h1-9H,(H,20,21)(H,22,25)(H,23,24,26)
InChIKeyYYDKWYFOPFQYQD-UHFFFAOYSA-N
XLogP4.18
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.85
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-hydrazinylbenzamide
CID 62236744
4-[2-(1H-benzimidazol-2-yl)acetyl]-N-(2-chlorophenyl)-1H-imidazole-5-carboxamide
CID 59349397
N-(1,3-benzothiazol-2-yl)-5-chloropyrazine-2-carboxamide
CID 113264920
N-(1,3-benzothiazol-2-yl)-2-chloro-5-hydroxybenzamide
CID 106501274
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452
N,N'-bis(1,3-benzothiazol-2-yl)oxamide
CID 591706
4-[(2-bromo-3-chlorophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
CID 103477624
N-(1,3-benzothiazol-2-yl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 1019747
5-N-(1,3-benzothiazol-2-yl)-5-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide
CID 66623371
5-N-(1H-benzimidazol-2-yl)-4-N-(2-methylsulfonylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 24985602
1-(4-chloro-1,3-benzothiazol-2-yl)-3-(2-chlorophenyl)urea
CID 46193181
6-(1,3-benzothiazol-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 43558353

Frequently Asked Questions

What is the IUPAC name of 5-N-(1,3-benzothiazol-2-yl)-4-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-(1,3-benzothiazol-2-yl)-4-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide (CID 24983646) is 5-N-(1,3-benzothiazol-2-yl)-4-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-(1,3-benzothiazol-2-yl)-4-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-(1,3-benzothiazol-2-yl)-4-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide is O=C(Nc1ccccc1Cl)c1nc[nH]c1C(=O)Nc1nc2ccccc2s1.
What is the InChIKey of 5-N-(1,3-benzothiazol-2-yl)-4-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is YYDKWYFOPFQYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN5O2S/c19-10-5-1-2-6-11(10)22-16(25)14-15(21-9-20-14)17(26)24-18-23-12-7-3-4-8-13(12)27-18/h1-9H,(H,20,21)(H,22,25)(H,23,24,26).
What are the key properties of 5-N-(1,3-benzothiazol-2-yl)-4-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide?
5-N-(1,3-benzothiazol-2-yl)-4-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 397.85 g/mol, XLogP of 4.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,3-benzothiazol-2-yl)-4-N-(2-chlorophenyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 24983646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).